SCHEMBL4407260

SCHEMBL4407260

O=[N+]([O-])c1nnn(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 2/20 0.42
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7142227 0.78 RAB9A (0.68) RAB9AL3MBTL1SMN1; SMN2NPC1HDAC6
SCHEMBL17834026 0.77 RAB9A (0.61) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL8223284 0.77 RAB9A (0.57) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL4407855 0.72 HTT (0.43) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL4414649 0.72 RAB9A (0.65) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL4413954 0.72 RAB9A (0.65) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL4414694 0.71 ABCG2 (0.45) RAB9AHTTSMN1; SMN2NPC1LMNA
SCHEMBL17610775 0.71 CYP19A1 (0.46) RAB9AL3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL4405590 0.70 RAB9A (0.62) RAB9AL3MBTL1HTTSMN1; SMN2NPC1
SCHEMBL4411065 0.70 RAB9A (0.42) RAB9AHTTSMN1; SMN2LMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed